SCHEMBL24828461

SCHEMBL24828461

CCn1cc(Cn2nc(Br)cc2Br)cn1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
KCNH2 Q12809 2/20 0.33
ACHE P22303 1/20 0.33
KMT2A Q03164 7/20 0.32
MEN1 O00255 3/20 0.32
POLB P06746 1/20 0.32
CSF1R P07333 1/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24828555 0.86 GAA (0.36) MAPTKCNH2ACHEKMT2AMEN1
SCHEMBL24828355 0.82 HDAC6 (0.34) MAPTKCNH2ACHEKMT2AMEN1
SCHEMBL24828668 0.72 CSF1R (0.35) MAPTKCNH2ACHEKMT2AMEN1
SCHEMBL24828484 0.71 KCNH2 (0.34) KCNH2POLBLMNAGAA
SCHEMBL30240839 0.69
SCHEMBL2756556 0.68
SCHEMBL24828534 0.67 ALDH1A1 (0.37) MAPTKCNH2ACHEKMT2AMEN1
SCHEMBL12092593 0.66 MAPT (0.37) MAPTKCNH2ACHEKMT2AALDH1A1
SCHEMBL24828535 0.66 HSD17B10 (0.51) MAPTKCNH2KMT2AMEN1POLB
SCHEMBL22509544 0.66 MAPT (0.49) MAPTKMT2AMEN1POLBLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240352037-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. 2024-10-24 US disclosed
US-12054498-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2024-08-06 US disclosed
US-20230107663-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. 2023-04-06 US disclosed
US-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-01-03 US disclosed
US-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-01-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240352037-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ABCB1, CYP2C8, PAICS MAPT 3454/4885KCNH2 3473/4885ACHE 2098/4885
US-12054498-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 MAPT 3687/4885KCNH2 3333/4885ACHE 2168/4885
US-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 MAPT 3687/4885KCNH2 3333/4885ACHE 2168/4885
US-20230107663-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ABCB1, CYP2C8, PAICS MAPT 3454/4885KCNH2 3473/4885ACHE 2098/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.